Basic information
- CAS
1122-62-9- Standard SMILES
CC(=O)c1ccccn1- InChIKey
AJKVQEKCUACUMD-UHFFFAOYSA-N- Molecular formula
- C7H7NO
- Average molar mass
- 121.14 g/mol
- Monoisotopic mass
- 121.05276385
Names & identifiers
- Preferred name
- 2-Acetylpyridine
- IUPAC
- 1-pyridin-2-ylethanone
- English name
- Methylpyridylketone
- Molecular formula
- C7H7NO
- Molecular weight
- 0
Names & synonyms
2-ACETYLPYRIDINE1122-62-91-pyridin-2-ylethanoneMethyl 2-pyridyl ketone1-(Pyridin-2-Yl)Ethan-1-OneKetone, methyl 2-pyridyl2-AcetopyridineEthanone, 1-(2-pyridinyl)-FEMA No. 3251629O10UI3LNSC-15043RefChem:85007
Show more names
214-355-61-(pyridin-2-yl)ethanoneAcetylpyridine1-(2-Pyridinyl)ethanone2-Pyridyl methyl ketone1-Pyridin-2-yl-ethanoneMFCD00006303Acetyl pyridine
Database identifiers
- CAS
1122-62-9、30440-88-1- PubChem CID
- 14286
- DTXSID
DTXSID7024409- ChEMBL
CHEMBL11945- ChEBI
CHEBI:193619- UNII
- 629O10UI3L
- EC Number
- 214-355-6
- Nikkaji
- J71.242F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 111
Experimental & physicochemical properties
LogP0.85
Density1.077-1.084
Solubility
Soluble in ether and acids
Soluble (in ethanol)
Boiling Point
189.00 to 193.00 °C. @ 760.00 mm Hg
189-193 °C
Vapor Pressure0.37 [mmHg]
Refractive Index1.518-1.524
Physical Description
Colorless liquid with an unpleasant odor; [Alfa Aesar MSDS]
Colourless to yellow liquid; Tobacco-like, popcorn, heavy-oily-fatty aroma
Kovats Retention Index
1001；1026；1026；999；998；1014；1018；1008.9；1005；1014；991；993；998；998；1010；1011
1057；1050；1030；1034；1032；1045；1031；1034.8；1046；1036
1602；1608；1608；1590；1586；1603；1603；1597；1618；1608；1587；1552；1599；1618；1600；1615；1597；1599；1600；1591.3
Physicochemical properties
- Boiling point
- 225.84 °C · 225.84°C (rough estimate)
- Density
- 1.1344 · 1.1344 (rough estimate)
- refractive index
- 1.5323 · 1.5323 (estimate)
- FDA UNII
- 7807 JD8 · AQQ7807JD8
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 73.1% (320 of 438) of all reports.
Warning
H315 (26.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (26.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (23.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 438 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 320 of 438 reports by companies.；There are 9 notifications provided by 118 of 438 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Ethanone, 1-(2-pyridinyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Methyl 2-pyridyl ketone: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (26.9%)；Eye Irrit. 2A (26.3%)；STOT SE 3 (23.7%)
Regulatory information
Regulatory Information
Chemical: Ethanone, 1-(2-pyridinyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Methyl 2-pyridyl ketone: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm；Extracellular
Uses & manufacturing
UsesUsed as a flavoring agent; [FDA]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationEthanone, 1-(2-pyridinyl)-: ACTIVE
Suppliers100 total
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Additional notes
DefinitionChEBI: 2-Acetylpyridine is an aromatic ketone.
Related reactions
159 records
Compound notes
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